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1H-pyrazole-4-propanenitrile, alpha~4~-(azanylidynemethyl)-beta~4~-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-

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1H-pyrazole-4-propanenitrile, alpha~4~-(azanylidynemethyl)-beta~4~-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-
SpectraBase Compound ID I2S5WkGzQyB
InChI InChI=1S/C14H11ClN4O/c1-8-12(14(20)19-18-8)13(9(6-16)7-17)10-4-2-3-5-11(10)15/h2-5,9,12-13H,1H3,(H,19,20)
InChIKey CGIUQBUFLCZXKJ-UHFFFAOYSA-N
Mol Weight 286.72 g/mol
Molecular Formula C14H11ClN4O
Exact Mass 286.062139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 86QsBpkqsTD
Name 1H-pyrazole-4-propanenitrile, alpha~4~-(azanylidynemethyl)-beta~4~-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C14H11ClN4O/c1-8-12(14(20)19-18-8)13(9(6-16)7-17)10-4-2-3-5-11(10)15/h2-5,9,12-13H,1H3,(H,19,20)
InChIKey CGIUQBUFLCZXKJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_5555
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: AG-205/5022167; Labnumber: TSH-2-22; IOH_ID: IOH-012558